1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotamide Formula: C26H34N3O5S+ MolecularWeight: 500.63026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)CC5=CC=CC=C5

InChI

InChI=1S/C26H33N3O5S/c30-26(27-22-10-12-28(13-11-22)19-20-4-2-1-3-5-20)21-8-14-29(15-9-21)35(31,32)23-6-7-24-25(18-23)34-17-16-33-24/h1-7,18,21-22H,8-17,19H2,(H,27,30)/p+1